3-ethenylhex-1-ene

C8H14 — CID 548892

IUPAC3-ethenylhex-1-ene
SMILESC=CC(C=C)CCC
InChIInChI=1S/C8H14/c1-4-7-8(5-2)6-3/h5-6,8H,2-4,7H2,1H3
InChIKeyCTKMVHNUVMUYCS-UHFFFAOYSA-N
MW110.20 g/mol
LogP2.77
Rot. Bonds4

About 3-ethenylhex-1-ene

3-ethenylhex-1-ene (PubChem CID 548892) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is 3-ethenylhex-1-ene.

Molecular Properties

Compound Name3-ethenylhex-1-ene
PubChem CID548892
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name3-ethenylhex-1-ene
SMILESC=CC(C=C)CCC
InChIInChI=1S/C8H14/c1-4-7-8(5-2)6-3/h5-6,8H,2-4,7H2,1H3
InChIKeyCTKMVHNUVMUYCS-UHFFFAOYSA-N
XLogP2.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethenylhex-1-ene?
The IUPAC name of 3-ethenylhex-1-ene (CID 548892) is 3-ethenylhex-1-ene.
What is the SMILES notation for 3-ethenylhex-1-ene?
The canonical SMILES for 3-ethenylhex-1-ene is C=CC(C=C)CCC.
What is the InChIKey of 3-ethenylhex-1-ene?
The InChIKey is CTKMVHNUVMUYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14/c1-4-7-8(5-2)6-3/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 3-ethenylhex-1-ene?
3-ethenylhex-1-ene has a molecular weight of 110.20 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylhex-1-ene is sourced from PubChem (CID 548892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).